element(s):
['C']
AFLOW prototype label:
A_tI8_139_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3798', '0.57333668', '0.81976373']
model name:
Sim_LAMMPS_MEAM_LiyanageKimHouze_2014_FeC__SM_652425777808_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.81976373 0.81976373 0.        ]]
spacegroup =  139
cell =  [[4.3798, 0, 0], [0, 4.3798, 0], [0, 0, 2.5111]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:29:29      -57.839328         3.399542
BFGS:    1 16:29:29      -55.991051        10.913467
BFGS:    2 16:29:29      -57.964689         0.966756
BFGS:    3 16:29:29      -57.976148         0.332392
BFGS:    4 16:29:29      -57.979677         0.354278
BFGS:    5 16:29:29      -57.996739         0.236458
BFGS:    6 16:29:29      -58.002297         0.104983
BFGS:    7 16:29:29      -58.002578         0.084216
BFGS:    8 16:29:29      -58.003193         0.086165
BFGS:    9 16:29:29      -58.003558         0.105007
BFGS:   10 16:29:29      -58.003873         0.060378
BFGS:   11 16:29:29      -58.003924         0.014831
BFGS:   12 16:29:29      -58.003927         0.000748
BFGS:   13 16:29:29      -58.003927         0.000045
BFGS:   14 16:29:29      -58.003927         0.000003
BFGS:   15 16:29:29      -58.003927         0.000000
BFGS:   16 16:29:29      -58.003927         0.000000
Minimization converged after 16 steps.
Maximum force component: 8.724218361622077e-10 eV/Angstrom
Maximum stress component: 1.893643610193205e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[8.16329066e-01 8.16329066e-01 0.00000000e+00]
 [1.83670934e-01 1.83670934e-01 2.83307410e-35]
 [1.83670934e-01 8.16329066e-01 0.00000000e+00]
 [8.16329066e-01 1.83670934e-01 9.44358033e-36]
 [3.16329066e-01 3.16329066e-01 5.00000000e-01]
 [6.83670934e-01 6.83670934e-01 5.00000000e-01]
 [6.83670934e-01 3.16329066e-01 5.00000000e-01]
 [3.16329066e-01 6.83670934e-01 5.00000000e-01]]
cellpar =  Cell([[4.3591783806720095, -6.952324123434795e-35, 1.8588003535425608e-34], [-1.3219831304332934e-34, 4.359178380672009, -1.131237987589261e-18], [7.74750527818748e-33, -6.577908933464642e-19, 2.549258168546792]])
forces =  [[ 8.72421836e-10  8.72421836e-10 -2.26902463e-28]
 [-8.72421836e-10 -8.72421836e-10  2.26651087e-28]
 [-8.72421836e-10  8.72421836e-10 -2.26651087e-28]
 [ 8.72421836e-10 -8.72421836e-10  2.26902463e-28]
 [ 8.72421836e-10  8.72421836e-10 -2.26651087e-28]
 [-8.72421836e-10 -8.72421836e-10  2.26902463e-28]
 [-8.72421836e-10  8.72421836e-10 -2.26902463e-28]
 [ 8.72421836e-10 -8.72421836e-10  2.26902463e-28]]
stress =  [ 9.62624219e-11  9.62624219e-11 -1.89364361e-10 -2.09083672e-26
  4.99130964e-33 -9.39859865e-50]
energy per atom =  -7.250490920616963
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0